[Ifeffit] SS and MS contributions to EXAFS

[Francisco Garcia]

Dear users,

I would like to quantify the single scattering (SS) and multiple
scattering (MS) contributions to the EXAFS spectra over a range of k
values. I adopted the following approach and I would like ask
experienced users if my approach is sound:

(1) Run a regular EXAFS (default NLEG=8); I assume this includes all
possible scattering paths. Call the chi(k) data chi.dat
(2) Run another EXAFS but this time I set NLEG=2. I assume this is for
all SS contributions. Call the chi(k) data chi_ss.dat
(3) To obtain the MS contribution, I subtracted chi_ss.dat from chi.dat

If my approach is faulty, can you tell me how to remedy it?

Thank you.